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TitlePropargyl-Linked Antifolates Are Potent Inhibitors of Drug-Sensitive and Drug-Resistant Mycobacterium tuberculosis.
Journal, issue, pagesPlos One, Vol. 11, Page e0161740-e0161740, Year 2016
Publish dateApr 11, 2016 (structure data deposition date)
AuthorsHajian, B. / Scocchera, E. / Keshipeddy, S. / G-Dayanandan, N. / Shoen, C. / Krucinska, J. / Reeve, S. / Cynamon, M. / Anderson, A.C. / Wright, D.L.
External linksPlos One / PubMed:27580226
MethodsX-ray diffraction
Resolution1.814 Å
Structure data

PDB-5ja3:
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106)
Method: X-RAY DIFFRACTION / Resolution: 1.814 Å

Chemicals

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-U06:
4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid

ChemComp-HOH:
WATER

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsOXIDOREDUCTASE / dhfr / antifolate / folate pathway

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